@datagrok/bio 2.11.14 → 2.11.15

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package/package.json CHANGED
@@ -5,7 +5,7 @@
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  "name": "Leonid Stolbov",
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  "email": "lstolbov@datagrok.ai"
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  },
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- "version": "2.11.14",
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+ "version": "2.11.15",
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  "description": "Bioinformatics support (import/export of sequences, conversion, visualization, analysis). [See more](https://github.com/datagrok-ai/public/blob/master/packages/Bio/README.md) for details.",
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  "repository": {
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  "type": "git",
@@ -36,7 +36,7 @@
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  "@biowasm/aioli": "^3.1.0",
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  "@datagrok-libraries/bio": "^5.39.10",
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  "@datagrok-libraries/chem-meta": "^1.2.1",
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- "@datagrok-libraries/ml": "^6.3.61",
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+ "@datagrok-libraries/ml": "^6.3.62",
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  "@datagrok-libraries/tutorials": "^1.3.11",
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  "@datagrok-libraries/utils": "^4.1.34",
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  "cash-dom": "^8.0.0",
package/src/package.ts CHANGED
@@ -246,6 +246,7 @@ export function SequenceSpaceEditor(call: DG.FuncCall) {
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  plotEmbeddings: params.plotEmbeddings,
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  options: params.options,
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  preprocessingFunction: params.preprocessingFunction,
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+ clusterEmbeddings: params.clusterEmbeddings,
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  }).call();
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  })
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  .show();
@@ -493,7 +494,7 @@ export async function activityCliffs(df: DG.DataFrame, macroMolecule: DG.Column<
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  //tags: dim-red-preprocessing-function
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  //meta.supportedSemTypes: Macromolecule
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  //meta.supportedTypes: string
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- //meta.supportedUnits: fasta,separator
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+ //meta.supportedUnits: fasta,separator,helm
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  //meta.supportedDistanceFunctions: Hamming,Levenshtein,Monomer chemical distance,Needlemann-Wunsch
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  //input: column col {semType: Macromolecule}
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  //input: string metric
@@ -541,19 +542,20 @@ export async function helmPreprocessingFunction(
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  //input: bool plotEmbeddings = true
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  //input: func preprocessingFunction {optional: true}
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  //input: object options {optional: true}
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+ //input: bool clusterEmbeddings = true { optional: true }
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  //output: viewer result
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  //editor: Bio:SequenceSpaceEditor
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  export async function sequenceSpaceTopMenu(table: DG.DataFrame, molecules: DG.Column,
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  methodName: DimReductionMethods, similarityMetric: BitArrayMetrics | MmDistanceFunctionsNames,
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- plotEmbeddings: boolean, preprocessingFunction?: DG.Func, options?: (IUMAPOptions | ITSNEOptions) & Options
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- ): Promise<DG.ScatterPlotViewer | undefined> {
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+ plotEmbeddings: boolean, preprocessingFunction?: DG.Func, options?: (IUMAPOptions | ITSNEOptions) & Options,
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+ clusterEmbeddings?: boolean): Promise<DG.ScatterPlotViewer | undefined> {
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  if (!checkInputColumnUI(molecules, 'Sequence Space'))
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  return;
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  if (!preprocessingFunction)
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  preprocessingFunction = DG.Func.find({name: 'macromoleculePreprocessingFunction', package: 'Bio'})[0];
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  const res = await reduceDimensionality(table, molecules, methodName,
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- similarityMetric as KnownMetrics, preprocessingFunction, plotEmbeddings, options, {
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+ similarityMetric as KnownMetrics, preprocessingFunction, plotEmbeddings, clusterEmbeddings ?? false, options, {
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  fastRowCount: 10000,
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  scatterPlotName: 'Sequence space',
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  bypassLargeDataWarning: options?.[BYPASS_LARGE_DATA_WARNING],